methyl benzoate; 2-methylbenzoic acid

Systemtic Name: methyl benzoate; 2-methylbenzoic acid Openeye Name: methyl benzoate; 2-methylbenzoic acid CAS Name: benzoic acid methyl ester; 2-methylbenzoic acid IUPAC Name: methyl benzoate; 2-methylbenzoic acid Traditional Name: benzoic acid methyl ester; o-toluic acid Formula: C16H16O4 MolecularWeight: 272.29584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)O.COC(=O)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=CC=C1C(=O)O.COC(=O)C1=CC=CC=C1

InChI

InChI=1S/2C8H8O2/c1-10-8(9)7-5-3-2-4-6-7;1-6-4-2-3-5-7(6)8(9)10/h2-6H,1H3;2-5H,1H3,(H,9,10)